4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-
TL;DR: 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl- (CAS 56878-25-2) is a chemical compound with molecular formula C11H9NO3 and molecular weight 203.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carbaldehyde
Also Known As: 4-Formyl-2-methyl-3-phenyl-3-isoxazoline-5-one, 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-, 2,5-Dihydro-2-methyl-5-oxo-3-phenylisoxazole-4-carbaldehyde, 2-methyl-5-oxo-3-phenyl-2,5-dihydro-1,2-oxazole-4-carbaldehyde, 2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carbaldehyde
| Molecular Formula | C11H9NO3 |
|---|---|
| Molecular Weight | 203.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.05824 |
| Heavy Atoms | 15 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 56878-25-2 |
|---|---|
| SMILES | CN1C(=C(C(=O)O1)C=O)C2=CC=CC=C2 |
| InChIKey | REFHEJODAIDWGH-UHFFFAOYSA-N |
Product Overview
4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl- (CAS 56878-25-2), with molecular formula C11H9NO3 and molecular weight 203.06 g/mol. IUPAC: 2-methyl-5-oxo-3-phenyl-1,2-oxazole-4-carbaldehyde.
Chemical Property Profile of 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-
Property Insights of 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-. With a topological polar surface area (TPSA) of 46.6 Ų, 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-?
The CAS number of 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl- is 56878-25-2.
What is the molecular formula of 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-?
The molecular formula of 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl- is C11H9NO3.
What is the molecular weight of 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-?
The molecular weight of 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl- is 203.06 g/mol.
Where can I buy 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-?
You can request a quote for 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.